2-[(dimethylamino)methyl]-1,3-thiazole-5-sulfonyl chloride

C6H9ClN2O2S2 — CID 171055471

IUPAC2-[(dimethylamino)methyl]-1,3-thiazole-5-sulfonyl chloride
SMILESCN(C)Cc1ncc(S(=O)(=O)Cl)s1
InChIInChI=1S/C6H9ClN2O2S2/c1-9(2)4-5-8-3-6(12-5)13(7,10)11/h3H,4H2,1-2H3
InChIKeyTYXOXOOOHVIVJT-UHFFFAOYSA-N
MW240.74 g/mol
LogP1.13
Rot. Bonds3

About 2-[(dimethylamino)methyl]-1,3-thiazole-5-sulfonyl chloride

2-[(dimethylamino)methyl]-1,3-thiazole-5-sulfonyl chloride (PubChem CID 171055471) has the molecular formula C6H9ClN2O2S2 and a molecular weight of 240.74 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-1,3-thiazole-5-sulfonyl chloride.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-1,3-thiazole-5-sulfonyl chloride
PubChem CID171055471
Molecular FormulaC6H9ClN2O2S2
Molecular Weight240.74 g/mol
Exact Mass239.98
IUPAC Name2-[(dimethylamino)methyl]-1,3-thiazole-5-sulfonyl chloride
SMILESCN(C)Cc1ncc(S(=O)(=O)Cl)s1
InChIInChI=1S/C6H9ClN2O2S2/c1-9(2)4-5-8-3-6(12-5)13(7,10)11/h3H,4H2,1-2H3
InChIKeyTYXOXOOOHVIVJT-UHFFFAOYSA-N
XLogP1.13
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-Propylsulfonyl-1,3-thiazol-2-yl)methanamine
CID 155532323
2-[[2-(Aminomethyl)-1,3-thiazol-5-yl]sulfonyl]ethanamine;hydrochloride
CID 130345165
US10807974, Example 96
CID 130345166
2-Methylthiazole-5-sulfonamide
CID 13517396
2-Methyl-1,3-thiazole-5-sulfonyl chloride
CID 53441758
2-Ethyl-1,3-thiazole-5-sulfonyl chloride
CID 55280414
5-Thiazolesulfonyl fluoride, 2-methyl-
CID 125454234
2-Tert-butyl-1,3-thiazole-5-sulfonyl chloride
CID 132351169
N-(2-methylsulfonylethyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine
CID 75433714
5-Methylsulfonyl-2-(trifluoromethyl)-1,3-thiazole
CID 21394715
2-(Fluoromethyl)-1,3-thiazole-5-sulfonic acid
CID 88403091
2-(Trifluoromethyl)-1,3-thiazole-5-sulfonyl chloride
CID 106784106

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-1,3-thiazole-5-sulfonyl chloride?
The IUPAC name of 2-[(dimethylamino)methyl]-1,3-thiazole-5-sulfonyl chloride (CID 171055471) is 2-[(dimethylamino)methyl]-1,3-thiazole-5-sulfonyl chloride.
What is the SMILES notation for 2-[(dimethylamino)methyl]-1,3-thiazole-5-sulfonyl chloride?
The canonical SMILES for 2-[(dimethylamino)methyl]-1,3-thiazole-5-sulfonyl chloride is CN(C)Cc1ncc(S(=O)(=O)Cl)s1.
What is the InChIKey of 2-[(dimethylamino)methyl]-1,3-thiazole-5-sulfonyl chloride?
The InChIKey is TYXOXOOOHVIVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2O2S2/c1-9(2)4-5-8-3-6(12-5)13(7,10)11/h3H,4H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]-1,3-thiazole-5-sulfonyl chloride?
2-[(dimethylamino)methyl]-1,3-thiazole-5-sulfonyl chloride has a molecular weight of 240.74 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-1,3-thiazole-5-sulfonyl chloride is sourced from PubChem (CID 171055471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).